ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010078
RECORD_TITLE: 1-METHYL-4-(11-(1,1-DIMETHYLETHOXYCARBONYL)-5,9-DIMETHYL-UNDECA-4,8-DIENOYL)-PIPERADINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1-METHYL-4-(11-(1,1-DIMETHYLETHOXYCARBONYL)-5,9-DIMETHYL-UNDECA-4,8-DIENOYL)-PIPERADINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H40N2O3
CH$EXACT_MASS: 392.30389
CH$SMILES: CC(CCC=C(C)CCC(=O)OC(C)(C)C)=CCCC(=O)N(C1)CCN(C)C1
CH$IUPAC: InChI=1S/C23H40N2O3/c1-19(11-8-12-21(26)25-17-15-24(6)16-18-25)9-7-10-20(2)13-14-22(27)28-23(3,4)5/h10-11H,7-9,12-18H2,1-6H3/b19-11-,20-10-
CH$LINK: INCHIKEY SWODQJWXQSPCDE-GDHXLXJCSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-056r-9100000000-8f637d883903689156f9
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  28 99.99 999
  29 4.1 41
  32 3.01 30
  39 8 80
  40 2.4 24
  41 29.8 298
  42 0.44 4
  43 7.4 74
  44 7.1 71
  53 2.1 21
  55 1.05 11
  56 26.8 268
  57 22.1 221
  58 19.2 192
  59 0.1 1
  67 2.8 28
  69 4.5 45
  70 26.5 265
  71 0.51 5
  72 1 10
  73 1.9 19
  77 1.2 12
  79 0.15 2
  81 7.8 78
  82 1.3 13
  83 11.8 118
  84 0.19 2
  85 4.7 47
  93 1.3 13
  95 1.8 18
  97 0.55 6
  98 25.8 258
  99 19.6 196
  100 4.5 45
  101 3.5 35
  102 2 20
  105 3.4 34
  109 1.7 17
  111 0.22 2
  127 12.1 121
  135 1.6 16
  142 3.2 32
  149 0.13 1
  152 2.3 23
  155 4 40
  166 9.1 91
  209 5.5 55
  210 12.1 121
  219 1.1 11
  220 1.2 12
  277 2 20
  278 3.7 37
  319 9.3 93
  320 2 20
  335 1.48 15
  337 2.9 29
  389 1.1 11
  391 5 50
  392 1.3 13
//
